Geometry & MOs

Info

ID:	28223
PubChem CID:	826394
Reduced:	FOSH15C17 (1)
Stoich.:	ABCD15E17 (1)
Weight, g/mol:	303.176919
ΔH_f, kcal/mol:	-50.64
Dipole, Da:	1.93
IP(EA), eV:	-8.99(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-1,5,7-trimethyl-N-phenyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide

Drug info:

PubChemData

Smile

CC(C)C1=CC2=C(C=C1)SC3=C(CC2=O)C=CC(=C3)F

DOS

IR

Vibrations